Molecular properties
- Formula
- C9H11NO2
- Molar mass
- 165.19 g·mol−1
- Exact mass
- 165.0790 Da
- 5
- 1
- 3
- 52.30 Ų
- 1.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 94-09-7
- PubChem CID
- 2337
Molecule record
benzocaine
C9H11NO2
165.19 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Amine
Aromatic ring
Ether
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 4-Aminobenzoic acid ethyl ester
- 94-09-7
- Amben ethyl ester
- Americaine
- Anaesthesin
- Anaesthin
- Anesthesin
- Anesthesine
Show all 23 synonyms
- Anesthone
- Baby Anbesol
- Dermoplast
- Ethyl 4-aminobenzoate
- Ethyl aminobenzoate
- Ethyl p-aminobenzoate
- Hurricaine
- Identhesin
- Norcain
- Norcaine
- Orthesin
- Parathesin
- Parathesine
- Topcaine
- p-Carbethoxyaniline
Structure identifiers
- Canonical SMILES
- CCOC(=O)C1=CC=C(C=C1)N
- Isomeric SMILES
- CCOC(=O)C1=CC=C(C=C1)N
- InChI
- InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
- InChIKey
- BLFLLBZGZJTVJG-UHFFFAOYSA-N
- PubChem CID
- 2337
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for benzocaine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for benzocaine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.